Automatically interact with Tinker prompts. (Companion to Issue #36)

Goodman-lab / DP5

Python workflow for DP5 and DP4 analysis of organic molecules

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Automatically interact with Tinker prompts. (Companion to Issue #36) #37

Closed zjp closed 3 years ago

zjp commented 4 years ago

For whatever reason, Tinker expects a couple of inputs to be given even though originally the program assumed this process was automatic. I think this may be due to a new release of Tinker. The new logic automatically fills out and enters those prompts for the user, while preserving the original logic of the code.

KristapsE commented 3 years ago

I believe we have incorporated equivalent code to this in the latest update, so I am going to close this now. If there is still an issue, feel free to reopen the issue and/or the pull request.